ChemSpider 2D Image | 5-[(4Z)-4-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid | C19H14BrClN2O5

5-[(4Z)-4-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid

  • Molecular FormulaC19H14BrClN2O5
  • Average mass465.682 Da
  • Monoisotopic mass463.977448 Da
  • ChemSpider ID22914361

  • Double-bond stereo - Double-bond stereo

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

5-[(4Z)-4-(3-Brom-4-hydroxy-5-methoxybenzyliden)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorbenzoesäure [German] [ACD/IUPAC Name]
5-[(4Z)-4-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid [ACD/IUPAC Name]
Acide 5-[(4Z)-4-(3-bromo-4-hydroxy-5-méthoxybenzylidène)-3-méthyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 5-[(4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2-chloro- [ACD/Index Name]
5-[(4Z)-4-[(3-BROMO-4-HYDROXY-5-METHOXYPHENYL)METHYLIDENE]-3-METHYL-5-OXOPYRAZOL-1-YL]-2-CHLOROBENZOIC ACID
5-[4-(3-Bromo-4-hydroxy-5-methoxy-benzylidene)-3-methyl-5-oxo-4,5-dihydro-pyrazol-1-yl]-2-chloro-benzoic acid
5-{4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylene]-3-methyl-5-oxo(1,2-diazolinyl)}-2-chlorobenzoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point: 616.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.2±3.0 kJ/mol
Flash Point: 326.9±34.3 °C
Index of Refraction: 1.670
Molar Refractivity: 106.1±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.81
ACD/LogD (pH 7.4): 0.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 99 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 55.9±7.0 dyne/cm
Molar Volume: 284.0±7.0 cm3

Click to predict properties on the Chemicalize site


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